SCHEMBL12693202

SCHEMBL12693202

CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)-c2nn(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 4/20 0.46
LMNA P02545 5/20 0.43
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
PIK3CA P42336 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1484932 0.89 PIK3CA (0.42) MAPTSMN1; SMN2TP53LMNATHRB
SCHEMBL1485440 0.88 PIK3CA (0.39) MAPTSMN1; SMN2TP53PIK3CAPIK3C3
SCHEMBL11967370 0.86 PIK3CA (0.40) MAPTSMN1; SMN2TP53PIK3CAPIK3C3
SCHEMBL1528091 0.86 PIK3CA (0.39) MAPTPIK3CAPIK3C3
SCHEMBL1528100 0.85 PIK3CA (0.42) MAPTPIK3CAPIK3C3
SCHEMBL1485014 0.85 CDK9 (0.41) MAPTPIK3CAPIK3C3
SCHEMBL1528279 0.84 PIK3CA (0.40) MAPTPIK3CAPIK3C3
SCHEMBL12689156 0.83 PIK3CA (0.43) TP53THRBPIK3CAPIK3C3
SCHEMBL1485443 0.83 MAPT (0.39) MAPTSMN1; SMN2TP53LMNATHRB
Hydrochloric Acid SCHEMBL1485276 0.82 PIK3CA (0.42) TP53THRBPIK3CAPIK3C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
EP-2711368-B1 Benzoxazepin PI3K inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2016-03-23 EP disclosed
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 US disclosed
EP-2845592-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-09-25 US disclosed
US-8785626-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-07-22 US disclosed
EP-2711368-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
US-20140058098-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-02-27 US disclosed
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 US disclosed
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 US disclosed
US-8343955-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-01-01 US disclosed
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2012-09-27 US disclosed
WO-2011036280-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140058098-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAPT 4229/4885SMN1; SMN2 2362/4885TP53 1719/4885
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAPT 4229/4885SMN1; SMN2 2362/4885TP53 1719/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAPT 4229/4885SMN1; SMN2 2362/4885TP53 1719/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAPT 4229/4885SMN1; SMN2 2362/4885TP53 1719/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAPT 4229/4885SMN1; SMN2 2362/4885TP53 1719/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAPT 4229/4885SMN1; SMN2 2362/4885TP53 1719/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.